(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol

C17H21NO2 — CID 2233000

IUPAC(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
SMILESC[C@H](O)CNCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C17H21NO2/c1-14(19)13-18-11-12-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,14,18-19H,11-13H2,1H3/t14-/m0/s1
InChIKeyWGROJIRSFGNJDF-AWEZNQCLSA-N
MW271.36 g/mol
LogP2.70
Rot. Bonds7

About (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol

(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol (PubChem CID 2233000) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
PubChem CID2233000
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
SMILESC[C@H](O)CNCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C17H21NO2/c1-14(19)13-18-11-12-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,14,18-19H,11-13H2,1H3/t14-/m0/s1
InChIKeyWGROJIRSFGNJDF-AWEZNQCLSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine
CID 62449849
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
CID 111337309
oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
CID 2923477
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2298387
2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
CID 110917179
(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol
CID 7374885
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol?
The IUPAC name of (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol (CID 2233000) is (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol is C[C@H](O)CNCCOc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol?
The InChIKey is WGROJIRSFGNJDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14(19)13-18-11-12-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,14,18-19H,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol?
(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 2233000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).